(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide

C24H29N3O4 — CID 32781324

IUPAC(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C24H29N3O4/c28-23(20-3-1-4-21(15-20)26-24(29)22-5-2-12-31-22)25-16-18-6-8-19(9-7-18)17-27-10-13-30-14-11-27/h1,3-4,6-9,15,22H,2,5,10-14,16-17H2,(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyWSEFFJLOBULEBD-QFIPXVFZSA-N
MW423.51 g/mol
LogP2.57
Rot. Bonds7

About (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 32781324) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID32781324
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C24H29N3O4/c28-23(20-3-1-4-21(15-20)26-24(29)22-5-2-12-31-22)25-16-18-6-8-19(9-7-18)17-27-10-13-30-14-11-27/h1,3-4,6-9,15,22H,2,5,10-14,16-17H2,(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyWSEFFJLOBULEBD-QFIPXVFZSA-N
XLogP2.57
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
N-[3-[[[N'-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111393502
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55970901
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55636384
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 32781324) is (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is WSEFFJLOBULEBD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-23(20-3-1-4-21(15-20)26-24(29)22-5-2-12-31-22)25-16-18-6-8-19(9-7-18)17-27-10-13-30-14-11-27/h1,3-4,6-9,15,22H,2,5,10-14,16-17H2,(H,25,28)(H,26,29)/t22-/m0/s1.
What are the key properties of (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 32781324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).